ChemSpider 2D Image | 3'-Acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-b,b-caroten-8-one | C42H58O6

3'-Acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-b,b-caroten-8-one

  • Molecular FormulaC42H58O6
  • Average mass658.906 Da
  • Monoisotopic mass658.423340 Da
  • ChemSpider ID4516336

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,5'-Dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-caroten-3'-yl acetate [ACD/IUPAC Name]
3,5'-Dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-carotin-3'-yl-acetat [German] [ACD/IUPAC Name]
3'-Acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-b,b-caroten-8-one
6',7'-Didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-a-carotene 3'-Acetate
Acétate de 3,5'-dihydroxy-8-oxo-6',7'-didéhydro-5,5',6,6',7,8-hexahydro-5,6-époxy-β,β-carotén-3'-yle [French] [ACD/IUPAC Name]
β,β-Caroten-8-one, 3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy- [ACD/Index Name]
3'-acetate-(7CI)-6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-a-carotene
3'-acetate-(7CI)-6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-α-carotene
3-Hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3,7,12,16-tetramethyl-17-oxo-1,3,5,7,9,11,13,15-octadecaoctaenylidene]-3,5,5-trimethylcyclohexyl acet
3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 764.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.9±6.0 kJ/mol
Flash Point: 223.0±26.4 °C
Index of Refraction: 1.560
Molar Refractivity: 195.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 151621.03
ACD/KOC (pH 5.5): 177813.50
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 151621.03
ACD/KOC (pH 7.4): 177813.50
Polar Surface Area: 96 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 604.5±5.0 cm3

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